4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide

C25H19ClN2O — CID 58791127

IUPAC4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H19ClN2O/c26-24-13-12-22(25(29)28-17-18-5-4-14-27-16-18)15-23(24)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-16H,17H2,(H,28,29)
InChIKeyDXDXYZFFGSDWJM-UHFFFAOYSA-N
MW398.89 g/mol
LogP6.00
Rot. Bonds5

About 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide

4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 58791127) has the molecular formula C25H19ClN2O and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID58791127
Molecular FormulaC25H19ClN2O
Molecular Weight398.89 g/mol
Exact Mass398.12
IUPAC Name4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H19ClN2O/c26-24-13-12-22(25(29)28-17-18-5-4-14-27-16-18)15-23(24)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-16H,17H2,(H,28,29)
InChIKeyDXDXYZFFGSDWJM-UHFFFAOYSA-N
XLogP6.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 58791104
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide (CID 58791127) is 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DXDXYZFFGSDWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O/c26-24-13-12-22(25(29)28-17-18-5-4-14-27-16-18)15-23(24)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-16H,17H2,(H,28,29).
What are the key properties of 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide?
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 398.89 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 58791127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).